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uxc_data Struct Reference

Public Attributes

const realdmata
 
const realdmatb
 
const BasisInfoStructbis
 
const Moleculemol
 
const Dft::GridParamsgss
 
realxca
 
realxcb
 
real edfty
 
real el
 
int nElectrons
 
int nThreads
 

Member Data Documentation

◆ bis

const BasisInfoStruct* uxc_data::bis

◆ dmata

const real* uxc_data::dmata

◆ dmatb

const real * uxc_data::dmatb

◆ edfty

real uxc_data::edfty

◆ el

real uxc_data::el

Referenced by dft_get_uxc_worker().

◆ gss

const Dft::GridParams* uxc_data::gss

◆ mol

const Molecule* uxc_data::mol

◆ nElectrons

int uxc_data::nElectrons

◆ nThreads

int uxc_data::nThreads

Referenced by dft_get_uxc_worker().

◆ xca

real* uxc_data::xca

◆ xcb

real * uxc_data::xcb

The documentation for this struct was generated from the following file: